6-nonylsulfanylhexane-1,2,3,4,5-pentol

C15H32O5S — CID 537510

IUPAC6-nonylsulfanylhexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCSCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C15H32O5S/c1-2-3-4-5-6-7-8-9-21-11-13(18)15(20)14(19)12(17)10-16/h12-20H,2-11H2,1H3
InChIKeyIJRXEXDYZUXIGM-UHFFFAOYSA-N
MW324.48 g/mol
LogP0.91
Rot. Bonds14

About 6-nonylsulfanylhexane-1,2,3,4,5-pentol

6-nonylsulfanylhexane-1,2,3,4,5-pentol (PubChem CID 537510) has the molecular formula C15H32O5S and a molecular weight of 324.48 g/mol. Its IUPAC name is 6-nonylsulfanylhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-nonylsulfanylhexane-1,2,3,4,5-pentol
PubChem CID537510
Molecular FormulaC15H32O5S
Molecular Weight324.48 g/mol
Exact Mass324.20
IUPAC Name6-nonylsulfanylhexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCSCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C15H32O5S/c1-2-3-4-5-6-7-8-9-21-11-13(18)15(20)14(19)12(17)10-16/h12-20H,2-11H2,1H3
InChIKeyIJRXEXDYZUXIGM-UHFFFAOYSA-N
XLogP0.91
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 50.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-nonylsulfanylhexane-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octyl beta-D-thioglucopyranoside
CID 656909
n-Heptyl beta-D-thioglucoside
CID 656917
D-Glucose, diethyl dithioacetal
CID 657375
Octyl 1-thiohexopyranoside
CID 363418
1-Oxo-1$L^(4)-Thiacyclotridecane-3,4,5,6,8,10,11,12-Octol
CID 24808560
Neokotalanol
CID 44224254
[(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6-tetrahydroxyoctan-3-yl] sulfate
CID 162648638
D-Glucose diethyl dithioacetal
CID 95420
N-Octyl-beta-D-thiogalactopyranoside
CID 53720325
Nonyl 1-thio-beta-D-glucopyranoside
CID 11688375
CID 24802438
CID 24802438
2-S-Ethyl-2-thio-D-mannose diethyl dithioacetal
CID 124044

Frequently Asked Questions

What is the IUPAC name of 6-nonylsulfanylhexane-1,2,3,4,5-pentol?
The IUPAC name of 6-nonylsulfanylhexane-1,2,3,4,5-pentol (CID 537510) is 6-nonylsulfanylhexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-nonylsulfanylhexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-nonylsulfanylhexane-1,2,3,4,5-pentol is CCCCCCCCCSCC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-nonylsulfanylhexane-1,2,3,4,5-pentol?
The InChIKey is IJRXEXDYZUXIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5S/c1-2-3-4-5-6-7-8-9-21-11-13(18)15(20)14(19)12(17)10-16/h12-20H,2-11H2,1H3.
What are the key properties of 6-nonylsulfanylhexane-1,2,3,4,5-pentol?
6-nonylsulfanylhexane-1,2,3,4,5-pentol has a molecular weight of 324.48 g/mol, XLogP of 0.91, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonylsulfanylhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 537510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).